Pentachlorophenol → HCID 54166524, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH2:20][CH2:21][C:22](=[S:23])[OH:24].[CH:37]1([N:38]=[C:39]=[N:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH:25][c:26]1[c:27]([Cl:28])[c:29]([Cl:30])[c:31]([Cl:32])[c:33]([Cl:34])[c:35]1[Cl:36]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH2:20][CH2:21][C:22](=[S:23])[O:24][c:26]1[c:27]([Cl:28])[c:29]([Cl:30])[c:31]([Cl:32])[c:33]([Cl:34])[c:35]1[Cl:36]Participants
5
Sources & evidence
- ORD record
- ord-fea44ca30ce3464886749e2bb16b6c37
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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